Geometry & MOs

Info

ID:

419958

PubChem CID:

135110225

Reduced:

N5O6C28H39 (1)

Stoich.:

A5B6C28D39 (1)

Weight, g/mol:

611.285617

ΔHf, kcal/mol:

-224.0

Dipole, Da:

8.72

IP(EA), eV:

 -8.6(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-9-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-17-methyl-1,4,5,6,9,14,17-heptazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4CCC(CC4)O

DOS

IR

Vibrations